4-Fluoroaniline
TL;DR: 4-Fluoroaniline (CAS 371-40-4) is a chemical compound with molecular formula C6H6FN and molecular weight 111.04842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluoroaniline
Also Known As: 4-FLUOROANILINE, p-Fluoroaniline, 4-Fluorobenzenamine, 1-Amino-4-fluorobenzene, p-Fluorophenylamine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6FN |
| Molecular Weight | 111.04842 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.04842 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 30.6 °F (USCG, 1999) |
| Boiling Point | 358.7 °F at 760 mmHg (USCG, 1999) |
| Density | 1.1725 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 165 °F (USCG, 1999) |
| Vapor Pressure | 1.0 [mmHg] |
| Refractive Index | Index of refraction: 1.51954 at 20 °C/D |
| Solubility | In water, 33 g/L at 20 °C |
| SMILES | C1=CC(=CC=C1N)F |
| InChIKey | KRZCOLNOCZKSDF-UHFFFAOYSA-N |
Product Description
Applications: 4-Fluoroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Fluoroaniline (CAS 371-40-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 4-Fluoroaniline (CAS 371-40-4) has the molecular formula C6H6FN and a molecular weight of 111.05 g/mol. Reported properties include a density of 1.1725 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: In water, 33 g/L at 20 °C. It is also known as 4-FLUOROANILINE and p-Fluoroaniline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Fluoroaniline
Property Insights of 4-Fluoroaniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoroaniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Fluoroaniline?
The CAS number of 4-Fluoroaniline is 371-40-4.
What is the molecular formula of 4-Fluoroaniline?
The molecular formula of 4-Fluoroaniline is C6H6FN.
What is the molecular weight of 4-Fluoroaniline?
The molecular weight of 4-Fluoroaniline is 111.04842 g/mol.
What are the applications of 4-Fluoroaniline?
4-Fluoroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Fluoroaniline (CAS 371-40-4) with...
Where can I buy 4-Fluoroaniline?
You can request a quote for 4-Fluoroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoroaniline?
Yes, CoreyChem provides custom synthesis services for 4-Fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.